Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Hg Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 76. Ry Suggested minimum cutoff for charge density: 425. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.3000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 0.900 1.200 -8.690877 6S 2 0 2.00 0.900 1.200 -0.504616 5P 2 1 6.00 0.900 1.200 -4.889989 5D 3 2 10.00 1.400 1.600 -0.726074 Generation configuration: 5S 1 0 2.00 0.900 1.200 -8.690983 6S 2 0 2.00 0.900 1.200 -0.504641 5P 2 1 6.00 0.900 1.200 -4.890049 6P 3 1 0.00 0.900 1.200 0.300000 5D 3 2 10.00 1.400 1.600 -0.726109 5D 3 2 0.00 1.400 1.600 0.050000 Pseudization used: troullier-martins &input title='Hg', zed=80., rel=1, config='[Xe] 4f14 6s2 6p0 5d10', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Hg.pbesol-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.3, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 0.90 1.20 0.0 6S 2 0 2.00 0.00 0.90 1.20 0.0 5P 2 1 6.00 0.00 0.90 1.20 0.0 6P 3 1 0.00 0.30 0.90 1.20 0.0 5D 3 2 10.00 0.00 1.40 1.60 0.0 5D 3 2 0.00 0.05 1.40 1.60 0.0 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